N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

COCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C19H17N3O6S/c1-26-9-8-21-13-10-12(22(24)25)6-7-17(13)29-19(21)20-18(23)16-11-27-14-4-2-3-5-15(14)28-16/h2-7,10,16H,8-9,11H2,1H3